(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-14-[(3S)-3-(heptylamino)-4-methyl-2-oxopentyl]-8-methyl-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-3-(3-methylbutylamino)-2-oxopentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-2-oxo-3-(pentylamino)pentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide

C221H295N39O33S6 — CID 157475924

IUPAC(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-14-[(3S)-3-(heptylamino)-4-methyl-2-oxopentyl]-8-methyl-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-3-(3-methylbutylamino)-2-oxopentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-2-oxo-3-(pentylamino)pentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide
SMILESCCCCCCCN[C@H](C(=O)C[C@@H]1CSCc2ccccc2CSC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)CC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)C[C@@H](Cc2cnc[nH]2)C(N)=O)[C@@H](C)CC)NC(=O)[C@H](C)CC(=O)[C@H](CC(N)=O)NC1=O)C(C)C.CCCCCN[C@H](C(=O)C[C@@H]1CSCc2ccccc2CSC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)CC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)C[C@@H](Cc2cnc[nH]2)C(N)=O)[C@@H](C)CC)NC(=O)[C@H](C)CC(=O)[C@H](CC(N)=O)NC1=O)C(C)C.CC[C@H](C)C(CC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CSCc2ccccc2CSC[C@@H](CC(=O)[C@@H](NCCC(C)C)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)C[C@@H](C)C(=O)N1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)C[C@@H](Cc1cnc[nH]1)C(N)=O
InChIInChI=1S/C75H101N13O11S2.2C73H97N13O11S2/c1-7-9-10-11-19-26-80-69(45(3)4)67(92)32-53-41-100-39-49-22-15-16-23-50(49)40-101-42-63(88-71(95)47(6)27-64(89)61(35-68(76)93)84-72(53)96)75(99)87-62(28-48-20-13-12-14-21-48)74(98)86-60(33-55-38-79-44-83-55)66(91)34-57(46(5)8-2)73(97)85-59(30-52-36-81-58-25-18-17-24-56(52)58)65(90)31-51(70(77)94)29-54-37-78-43-82-54;1-8-44(6)55(71(95)83-57(27-50-33-79-56-21-15-14-20-54(50)56)63(88)28-49(68(75)92)26-52-34-76-40-80-52)31-64(89)58(30-53-35-77-41-81-53)84-72(96)60(25-46-16-10-9-11-17-46)85-73(97)61-39-99-37-48-19-13-12-18-47(48)36-98-38-51(29-65(90)67(43(4)5)78-23-22-42(2)3)70(94)82-59(32-66(74)91)62(87)24-45(7)69(93)86-61;1-7-9-17-24-78-67(43(3)4)65(90)30-51-39-98-37-47-20-13-14-21-48(47)38-99-40-61(86-69(93)45(6)25-62(87)59(33-66(74)91)82-70(51)94)73(97)85-60(26-46-18-11-10-12-19-46)72(96)84-58(31-53-36-77-42-81-53)64(89)32-55(44(5)8-2)71(95)83-57(28-50-34-79-56-23-16-15-22-54(50)56)63(88)29-49(68(75)92)27-52-35-76-41-80-52/h12-18,20-25,36-38,43-47,51,53,57,59-63,69,80-81H,7-11,19,26-35,39-42H2,1-6H3,(H2,76,93)(H2,77,94)(H,78,82)(H,79,83)(H,84,96)(H,85,97)(H,86,98)(H,87,99)(H,88,95);9-21,33-35,40-45,49,51,55,57-61,67,78-79H,8,22-32,36-39H2,1-7H3,(H2,74,91)(H2,75,92)(H,76,80)(H,77,81)(H,82,94)(H,83,95)(H,84,96)(H,85,97)(H,86,93);10-16,18-23,34-36,41-45,49,51,55,57-61,67,78-79H,7-9,17,24-33,37-40H2,1-6H3,(H2,74,91)(H2,75,92)(H,76,80)(H,77,81)(H,82,94)(H,83,95)(H,84,96)(H,85,97)(H,86,93)/t46-,47+,51+,53+,57?,59-,60-,61-,62-,63+,69-;2*44-,45+,49+,51+,55?,57-,58-,59-,60-,61+,67-/m000/s1
InChIKeyBVOYZMFXYGQAND-OEIQNYGXSA-N
MW4218.43 g/mol
LogP18.70
Rot. Bonds103

About (5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-14-[(3S)-3-(heptylamino)-4-methyl-2-oxopentyl]-8-methyl-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-3-(3-methylbutylamino)-2-oxopentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-2-oxo-3-(pentylamino)pentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide

(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-14-[(3S)-3-(heptylamino)-4-methyl-2-oxopentyl]-8-methyl-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-3-(3-methylbutylamino)-2-oxopentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-2-oxo-3-(pentylamino)pentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide (PubChem CID 157475924) has the molecular formula C221H295N39O33S6 and a molecular weight of 4218.43 g/mol. Its IUPAC name is (5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-14-[(3S)-3-(heptylamino)-4-methyl-2-oxopentyl]-8-methyl-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-3-(3-methylbutylamino)-2-oxopentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-2-oxo-3-(pentylamino)pentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide.

Molecular Properties

Compound Name(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-14-[(3S)-3-(heptylamino)-4-methyl-2-oxopentyl]-8-methyl-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-3-(3-methylbutylamino)-2-oxopentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-2-oxo-3-(pentylamino)pentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide
PubChem CID157475924
Molecular FormulaC221H295N39O33S6
Molecular Weight4218.43 g/mol
Exact Mass4215.09
IUPAC Name(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-14-[(3S)-3-(heptylamino)-4-methyl-2-oxopentyl]-8-methyl-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-3-(3-methylbutylamino)-2-oxopentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-2-oxo-3-(pentylamino)pentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide
SMILESCCCCCCCN[C@H](C(=O)C[C@@H]1CSCc2ccccc2CSC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)CC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)C[C@@H](Cc2cnc[nH]2)C(N)=O)[C@@H](C)CC)NC(=O)[C@H](C)CC(=O)[C@H](CC(N)=O)NC1=O)C(C)C.CCCCCN[C@H](C(=O)C[C@@H]1CSCc2ccccc2CSC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)CC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)C[C@@H](Cc2cnc[nH]2)C(N)=O)[C@@H](C)CC)NC(=O)[C@H](C)CC(=O)[C@H](CC(N)=O)NC1=O)C(C)C.CC[C@H](C)C(CC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CSCc2ccccc2CSC[C@@H](CC(=O)[C@@H](NCCC(C)C)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)C[C@@H](C)C(=O)N1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)C[C@@H](Cc1cnc[nH]1)C(N)=O
InChIInChI=1S/C75H101N13O11S2.2C73H97N13O11S2/c1-7-9-10-11-19-26-80-69(45(3)4)67(92)32-53-41-100-39-49-22-15-16-23-50(49)40-101-42-63(88-71(95)47(6)27-64(89)61(35-68(76)93)84-72(53)96)75(99)87-62(28-48-20-13-12-14-21-48)74(98)86-60(33-55-38-79-44-83-55)66(91)34-57(46(5)8-2)73(97)85-59(30-52-36-81-58-25-18-17-24-56(52)58)65(90)31-51(70(77)94)29-54-37-78-43-82-54;1-8-44(6)55(71(95)83-57(27-50-33-79-56-21-15-14-20-54(50)56)63(88)28-49(68(75)92)26-52-34-76-40-80-52)31-64(89)58(30-53-35-77-41-81-53)84-72(96)60(25-46-16-10-9-11-17-46)85-73(97)61-39-99-37-48-19-13-12-18-47(48)36-98-38-51(29-65(90)67(43(4)5)78-23-22-42(2)3)70(94)82-59(32-66(74)91)62(87)24-45(7)69(93)86-61;1-7-9-17-24-78-67(43(3)4)65(90)30-51-39-98-37-47-20-13-14-21-48(47)38-99-40-61(86-69(93)45(6)25-62(87)59(33-66(74)91)82-70(51)94)73(97)85-60(26-46-18-11-10-12-19-46)72(96)84-58(31-53-36-77-42-81-53)64(89)32-55(44(5)8-2)71(95)83-57(28-50-34-79-56-23-16-15-22-54(50)56)63(88)29-49(68(75)92)27-52-35-76-41-80-52/h12-18,20-25,36-38,43-47,51,53,57,59-63,69,80-81H,7-11,19,26-35,39-42H2,1-6H3,(H2,76,93)(H2,77,94)(H,78,82)(H,79,83)(H,84,96)(H,85,97)(H,86,98)(H,87,99)(H,88,95);9-21,33-35,40-45,49,51,55,57-61,67,78-79H,8,22-32,36-39H2,1-7H3,(H2,74,91)(H2,75,92)(H,76,80)(H,77,81)(H,82,94)(H,83,95)(H,84,96)(H,85,97)(H,86,93);10-16,18-23,34-36,41-45,49,51,55,57-61,67,78-79H,7-9,17,24-33,37-40H2,1-6H3,(H2,74,91)(H2,75,92)(H,76,80)(H,77,81)(H,82,94)(H,83,95)(H,84,96)(H,85,97)(H,86,93)/t46-,47+,51+,53+,57?,59-,60-,61-,62-,63+,69-;2*44-,45+,49+,51+,55?,57-,58-,59-,60-,61+,67-/m000/s1
InChIKeyBVOYZMFXYGQAND-OEIQNYGXSA-N
XLogP18.70
TPSA1155.42 Ų
H-Bond Donors33
H-Bond Acceptors48
Rotatable Bonds103
Heavy Atoms299
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004218.43
LogP ≤ 518.70
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1048

Analyze (5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-14-[(3S)-3-(heptylamino)-4-methyl-2-oxopentyl]-8-methyl-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-3-(3-methylbutylamino)-2-oxopentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-2-oxo-3-(pentylamino)pentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-14-[(3S)-3-(heptylamino)-4-methyl-2-oxopentyl]-8-methyl-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-3-(3-methylbutylamino)-2-oxopentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-2-oxo-3-(pentylamino)pentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide?
The IUPAC name of (5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-14-[(3S)-3-(heptylamino)-4-methyl-2-oxopentyl]-8-methyl-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-3-(3-methylbutylamino)-2-oxopentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-2-oxo-3-(pentylamino)pentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide (CID 157475924) is (5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-14-[(3S)-3-(heptylamino)-4-methyl-2-oxopentyl]-8-methyl-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-3-(3-methylbutylamino)-2-oxopentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-2-oxo-3-(pentylamino)pentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide.
What is the SMILES notation for (5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-14-[(3S)-3-(heptylamino)-4-methyl-2-oxopentyl]-8-methyl-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-3-(3-methylbutylamino)-2-oxopentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-2-oxo-3-(pentylamino)pentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide?
The canonical SMILES for (5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-14-[(3S)-3-(heptylamino)-4-methyl-2-oxopentyl]-8-methyl-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-3-(3-methylbutylamino)-2-oxopentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-2-oxo-3-(pentylamino)pentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide is CCCCCCCN[C@H](C(=O)C[C@@H]1CSCc2ccccc2CSC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)CC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)C[C@@H](Cc2cnc[nH]2)C(N)=O)[C@@H](C)CC)NC(=O)[C@H](C)CC(=O)[C@H](CC(N)=O)NC1=O)C(C)C.CCCCCN[C@H](C(=O)C[C@@H]1CSCc2ccccc2CSC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)CC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)C[C@@H](Cc2cnc[nH]2)C(N)=O)[C@@H](C)CC)NC(=O)[C@H](C)CC(=O)[C@H](CC(N)=O)NC1=O)C(C)C.CC[C@H](C)C(CC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CSCc2ccccc2CSC[C@@H](CC(=O)[C@@H](NCCC(C)C)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)C[C@@H](C)C(=O)N1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)C[C@@H](Cc1cnc[nH]1)C(N)=O.
What is the InChIKey of (5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-14-[(3S)-3-(heptylamino)-4-methyl-2-oxopentyl]-8-methyl-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-3-(3-methylbutylamino)-2-oxopentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-2-oxo-3-(pentylamino)pentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide?
The InChIKey is BVOYZMFXYGQAND-OEIQNYGXSA-N. The full InChI is InChI=1S/C75H101N13O11S2.2C73H97N13O11S2/c1-7-9-10-11-19-26-80-69(45(3)4)67(92)32-53-41-100-39-49-22-15-16-23-50(49)40-101-42-63(88-71(95)47(6)27-64(89)61(35-68(76)93)84-72(53)96)75(99)87-62(28-48-20-13-12-14-21-48)74(98)86-60(33-55-38-79-44-83-55)66(91)34-57(46(5)8-2)73(97)85-59(30-52-36-81-58-25-18-17-24-56(52)58)65(90)31-51(70(77)94)29-54-37-78-43-82-54;1-8-44(6)55(71(95)83-57(27-50-33-79-56-21-15-14-20-54(50)56)63(88)28-49(68(75)92)26-52-34-76-40-80-52)31-64(89)58(30-53-35-77-41-81-53)84-72(96)60(25-46-16-10-9-11-17-46)85-73(97)61-39-99-37-48-19-13-12-18-47(48)36-98-38-51(29-65(90)67(43(4)5)78-23-22-42(2)3)70(94)82-59(32-66(74)91)62(87)24-45(7)69(93)86-61;1-7-9-17-24-78-67(43(3)4)65(90)30-51-39-98-37-47-20-13-14-21-48(47)38-99-40-61(86-69(93)45(6)25-62(87)59(33-66(74)91)82-70(51)94)73(97)85-60(26-46-18-11-10-12-19-46)72(96)84-58(31-53-36-77-42-81-53)64(89)32-55(44(5)8-2)71(95)83-57(28-50-34-79-56-23-16-15-22-54(50)56)63(88)29-49(68(75)92)27-52-35-76-41-80-52/h12-18,20-25,36-38,43-47,51,53,57,59-63,69,80-81H,7-11,19,26-35,39-42H2,1-6H3,(H2,76,93)(H2,77,94)(H,78,82)(H,79,83)(H,84,96)(H,85,97)(H,86,98)(H,87,99)(H,88,95);9-21,33-35,40-45,49,51,55,57-61,67,78-79H,8,22-32,36-39H2,1-7H3,(H2,74,91)(H2,75,92)(H,76,80)(H,77,81)(H,82,94)(H,83,95)(H,84,96)(H,85,97)(H,86,93);10-16,18-23,34-36,41-45,49,51,55,57-61,67,78-79H,7-9,17,24-33,37-40H2,1-6H3,(H2,74,91)(H2,75,92)(H,76,80)(H,77,81)(H,82,94)(H,83,95)(H,84,96)(H,85,97)(H,86,93)/t46-,47+,51+,53+,57?,59-,60-,61-,62-,63+,69-;2*44-,45+,49+,51+,55?,57-,58-,59-,60-,61+,67-/m000/s1.
What are the key properties of (5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-14-[(3S)-3-(heptylamino)-4-methyl-2-oxopentyl]-8-methyl-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-3-(3-methylbutylamino)-2-oxopentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-2-oxo-3-(pentylamino)pentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide?
(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-14-[(3S)-3-(heptylamino)-4-methyl-2-oxopentyl]-8-methyl-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-3-(3-methylbutylamino)-2-oxopentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-2-oxo-3-(pentylamino)pentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide has a molecular weight of 4218.43 g/mol, XLogP of 18.70, 103 rotatable bonds, 33 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-14-[(3S)-3-(heptylamino)-4-methyl-2-oxopentyl]-8-methyl-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-3-(3-methylbutylamino)-2-oxopentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide;(5S,8R,11S,14S)-N-[(2S)-1-[[(2S,6S)-5-[[(2S,5R)-6-amino-5-(1H-imidazol-5-ylmethyl)-1-(1H-indol-3-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(1H-imidazol-5-yl)-6-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-11-(2-amino-2-oxoethyl)-8-methyl-14-[(3S)-4-methyl-2-oxo-3-(pentylamino)pentyl]-7,10,13-trioxo-3,16-dithia-6,12-diazabicyclo[16.4.0]docosa-1(22),18,20-triene-5-carboxamide is sourced from PubChem (CID 157475924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).