bis((4S,7R)-4-acetamido-11-amino-7-[[(4S,7R)-7-[[(2S,5R)-6-[[(2S,5S,6S)-5-[[(2S,5S,6S)-5-carbamoyl-6-methyl-3-oxo-1-phenyloctan-2-yl]carbamoyl]-1-carboxy-6-methyl-3-oxooctan-2-yl]amino]-1-hydroxy-5-methyl-3,6-dioxohexan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-5-oxoundecanoic acid);(2S,5S)-5-[[(2R,5S)-5-[[(2S,3R)-2-[(2-amino-4-dodecoxybutanoyl)amino]-3-hydroxybutanoyl]amino]-2-benzyl-6-methyl-4-oxoheptanoyl]amino]-8-(diaminomethylideneamino)-N-[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]-2-(hydroxymethyl)-4-oxooctanamide;N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]hexadecanamide;(Z)-N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]octadec-9-enamide

C289H489N57O63 — CID 162022520

About bis((4S,7R)-4-acetamido-11-amino-7-[[(4S,7R)-7-[[(2S,5R)-6-[[(2S,5S,6S)-5-[[(2S,5S,6S)-5-carbamoyl-6-methyl-3-oxo-1-phenyloctan-2-yl]carbamoyl]-1-carboxy-6-methyl-3-oxooctan-2-yl]amino]-1-hydroxy-5-methyl-3,6-dioxohexan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-5-oxoundecanoic acid);(2S,5S)-5-[[(2R,5S)-5-[[(2S,3R)-2-[(2-amino-4-dodecoxybutanoyl)amino]-3-hydroxybutanoyl]amino]-2-benzyl-6-methyl-4-oxoheptanoyl]amino]-8-(diaminomethylideneamino)-N-[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]-2-(hydroxymethyl)-4-oxooctanamide;N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]hexadecanamide;(Z)-N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]octadec-9-enamide

bis((4S,7R)-4-acetamido-11-amino-7-[[(4S,7R)-7-[[(2S,5R)-6-[[(2S,5S,6S)-5-[[(2S,5S,6S)-5-carbamoyl-6-methyl-3-oxo-1-phenyloctan-2-yl]carbamoyl]-1-carboxy-6-methyl-3-oxooctan-2-yl]amino]-1-hydroxy-5-methyl-3,6-dioxohexan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-5-oxoundecanoic acid);(2S,5S)-5-[[(2R,5S)-5-[[(2S,3R)-2-[(2-amino-4-dodecoxybutanoyl)amino]-3-hydroxybutanoyl]amino]-2-benzyl-6-methyl-4-oxoheptanoyl]amino]-8-(diaminomethylideneamino)-N-[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]-2-(hydroxymethyl)-4-oxooctanamide;N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]hexadecanamide;(Z)-N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]octadec-9-enamide (PubChem CID 162022520) has the molecular formula C289H489N57O63 and a molecular weight of 5770.43 g/mol. Its IUPAC name is bis((4S,7R)-4-acetamido-11-amino-7-[[(4S,7R)-7-[[(2S,5R)-6-[[(2S,5S,6S)-5-[[(2S,5S,6S)-5-carbamoyl-6-methyl-3-oxo-1-phenyloctan-2-yl]carbamoyl]-1-carboxy-6-methyl-3-oxooctan-2-yl]amino]-1-hydroxy-5-methyl-3,6-dioxohexan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-5-oxoundecanoic acid);(2S,5S)-5-[[(2R,5S)-5-[[(2S,3R)-2-[(2-amino-4-dodecoxybutanoyl)amino]-3-hydroxybutanoyl]amino]-2-benzyl-6-methyl-4-oxoheptanoyl]amino]-8-(diaminomethylideneamino)-N-[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]-2-(hydroxymethyl)-4-oxooctanamide;N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]hexadecanamide;(Z)-N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]octadec-9-enamide.

Molecular Properties

• Compound Name: bis((4S,7R)-4-acetamido-11-amino-7-[[(4S,7R)-7-[[(2S,5R)-6-[[(2S,5S,6S)-5-[[(2S,5S,6S)-5-carbamoyl-6-methyl-3-oxo-1-phenyloctan-2-yl]carbamoyl]-1-carboxy-6-methyl-3-oxooctan-2-yl]amino]-1-hydroxy-5-methyl-3,6-dioxohexan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-5-oxoundecanoic acid);(2S,5S)-5-[[(2R,5S)-5-[[(2S,3R)-2-[(2-amino-4-dodecoxybutanoyl)amino]-3-hydroxybutanoyl]amino]-2-benzyl-6-methyl-4-oxoheptanoyl]amino]-8-(diaminomethylideneamino)-N-[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]-2-(hydroxymethyl)-4-oxooctanamide;N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]hexadecanamide;(Z)-N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]octadec-9-enamide
• PubChem CID: 162022520
• Molecular Formula: C289H489N57O63
• Molecular Weight: 5770.43 g/mol
• Exact Mass: 5766.68
• IUPAC Name: bis((4S,7R)-4-acetamido-11-amino-7-[[(4S,7R)-7-[[(2S,5R)-6-[[(2S,5S,6S)-5-[[(2S,5S,6S)-5-carbamoyl-6-methyl-3-oxo-1-phenyloctan-2-yl]carbamoyl]-1-carboxy-6-methyl-3-oxooctan-2-yl]amino]-1-hydroxy-5-methyl-3,6-dioxohexan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-5-oxoundecanoic acid);(2S,5S)-5-[[(2R,5S)-5-[[(2S,3R)-2-[(2-amino-4-dodecoxybutanoyl)amino]-3-hydroxybutanoyl]amino]-2-benzyl-6-methyl-4-oxoheptanoyl]amino]-8-(diaminomethylideneamino)-N-[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]-2-(hydroxymethyl)-4-oxooctanamide;N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]hexadecanamide;(Z)-N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]octadec-9-enamide
• SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C[C@@H](CO)C(=O)N[C@@H](CO)C(=O)C[C@H](C)CCCN=C(N)N)C(C)C)[C@@H](C)O.CCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C[C@@H](CO)C(=O)N[C@@H](CO)C(=O)C[C@H](C)CCCN=C(N)N)C(C)C)[C@@H](C)O.CCCCCCCCCCCCOCCC(N)C(=O)N[C@H](C(=O)N[C@H](C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C[C@@H](CO)C(=O)N[C@@H](CO)C(=O)C[C@H](C)CCCN=C(N)N)C(C)C)[C@@H](C)O.CC[C@H](C)C(CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)CC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)CC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)CC(=O)[C@H](CCC(=O)O)NC(C)=O)[C@@H](C)CC)C(N)=O.CC[C@H](C)[C@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)CC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)CC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)CC(=O)[C@H](CCC(=O)O)NC(C)=O)[C@@H](C)CC)C(N)=O
• InChI: InChI=1S/2C61H99N13O16.C57H98N10O10.C55H97N11O11.C55H96N10O10/c2*1-7-34(3)41(55(63)86)30-51(80)45(27-38-16-10-9-11-17-38)73-59(90)42(35(4)8-2)31-52(81)46(32-54(84)85)72-56(87)36(5)26-48(77)47(33-75)74-58(89)40(19-14-24-68-60(64)65)29-49(78)43(20-15-25-69-61(66)67)71-57(88)39(18-12-13-23-62)28-50(79)44(70-37(6)76)21-22-53(82)83;1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30-50(74)66-52(41(5)70)55(77)67-51(39(2)3)49(73)35-43(34-42-27-21-20-22-28-42)53(75)64-45(29-25-32-63-57(60)61)48(72)36-44(37-68)54(76)65-46(38-69)47(71)33-40(4)26-24-31-62-56(58)59;1-6-7-8-9-10-11-12-13-14-18-28-77-29-25-42(56)52(75)66-49(38(5)69)53(76)65-48(36(2)3)47(72)32-40(31-39-22-16-15-17-23-39)50(73)63-43(24-20-27-62-55(59)60)46(71)33-41(34-67)51(74)64-44(35-68)45(70)30-37(4)21-19-26-61-54(57)58;1-6-7-8-9-10-11-12-13-14-15-16-17-21-28-48(72)64-50(39(5)68)53(75)65-49(37(2)3)47(71)33-41(32-40-25-19-18-20-26-40)51(73)62-43(27-23-30-61-55(58)59)46(70)34-42(35-66)52(74)63-44(36-67)45(69)31-38(4)24-22-29-60-54(56)57/h2*9-11,16-17,34-36,39-47,75H,7-8,12-15,18-33,62H2,1-6H3,(H2,63,86)(H,70,76)(H,71,88)(H,72,87)(H,73,90)(H,74,89)(H,82,83)(H,84,85)(H4,64,65,68)(H4,66,67,69);13-14,20-22,27-28,39-41,43-46,51-52,68-70H,6-12,15-19,23-26,29-38H2,1-5H3,(H,64,75)(H,65,76)(H,66,74)(H,67,77)(H4,58,59,62)(H4,60,61,63);15-17,22-23,36-38,40-44,48-49,67-69H,6-14,18-21,24-35,56H2,1-5H3,(H,63,73)(H,64,74)(H,65,76)(H,66,75)(H4,57,58,61)(H4,59,60,62);18-20,25-26,37-39,41-44,49-50,66-68H,6-17,21-24,27-36H2,1-5H3,(H,62,73)(H,63,74)(H,64,72)(H,65,75)(H4,56,57,60)(H4,58,59,61)/b;;14-13-;;/t34-,35-,36+,39+,40+,41?,42-,43-,44-,45-,46-,47-;34-,35-,36+,39+,40+,41-,42-,43-,44-,45-,46-,47-;40-,41-,43-,44+,45+,46+,51+,52+;37-,38-,40-,41+,42?,43+,44+,48+,49+;38-,39-,41-,42+,43+,44+,49+,50+/m00111/s1
• InChIKey: YUXWZYGVAVGLRP-UQITUMBXSA-N
• XLogP: 8.73
• TPSA: 2153.73 Ų
• H-Bond Donors: 62
• H-Bond Acceptors: 72
• Rotatable Bonds: 232
• Heavy Atoms: 409
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5770.43
LogP ≤ 5	8.73
H-Bond Donors ≤ 5	62
H-Bond Acceptors ≤ 10	72

Frequently Asked Questions

What is the IUPAC name of bis((4S,7R)-4-acetamido-11-amino-7-[[(4S,7R)-7-[[(2S,5R)-6-[[(2S,5S,6S)-5-[[(2S,5S,6S)-5-carbamoyl-6-methyl-3-oxo-1-phenyloctan-2-yl]carbamoyl]-1-carboxy-6-methyl-3-oxooctan-2-yl]amino]-1-hydroxy-5-methyl-3,6-dioxohexan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-5-oxoundecanoic acid);(2S,5S)-5-[[(2R,5S)-5-[[(2S,3R)-2-[(2-amino-4-dodecoxybutanoyl)amino]-3-hydroxybutanoyl]amino]-2-benzyl-6-methyl-4-oxoheptanoyl]amino]-8-(diaminomethylideneamino)-N-[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]-2-(hydroxymethyl)-4-oxooctanamide;N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]hexadecanamide;(Z)-N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]octadec-9-enamide?

The IUPAC name of bis((4S,7R)-4-acetamido-11-amino-7-[[(4S,7R)-7-[[(2S,5R)-6-[[(2S,5S,6S)-5-[[(2S,5S,6S)-5-carbamoyl-6-methyl-3-oxo-1-phenyloctan-2-yl]carbamoyl]-1-carboxy-6-methyl-3-oxooctan-2-yl]amino]-1-hydroxy-5-methyl-3,6-dioxohexan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-5-oxoundecanoic acid);(2S,5S)-5-[[(2R,5S)-5-[[(2S,3R)-2-[(2-amino-4-dodecoxybutanoyl)amino]-3-hydroxybutanoyl]amino]-2-benzyl-6-methyl-4-oxoheptanoyl]amino]-8-(diaminomethylideneamino)-N-[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]-2-(hydroxymethyl)-4-oxooctanamide;N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]hexadecanamide;(Z)-N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]octadec-9-enamide (CID 162022520) is bis((4S,7R)-4-acetamido-11-amino-7-[[(4S,7R)-7-[[(2S,5R)-6-[[(2S,5S,6S)-5-[[(2S,5S,6S)-5-carbamoyl-6-methyl-3-oxo-1-phenyloctan-2-yl]carbamoyl]-1-carboxy-6-methyl-3-oxooctan-2-yl]amino]-1-hydroxy-5-methyl-3,6-dioxohexan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-5-oxoundecanoic acid);(2S,5S)-5-[[(2R,5S)-5-[[(2S,3R)-2-[(2-amino-4-dodecoxybutanoyl)amino]-3-hydroxybutanoyl]amino]-2-benzyl-6-methyl-4-oxoheptanoyl]amino]-8-(diaminomethylideneamino)-N-[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]-2-(hydroxymethyl)-4-oxooctanamide;N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]hexadecanamide;(Z)-N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]octadec-9-enamide.

What is the SMILES notation for bis((4S,7R)-4-acetamido-11-amino-7-[[(4S,7R)-7-[[(2S,5R)-6-[[(2S,5S,6S)-5-[[(2S,5S,6S)-5-carbamoyl-6-methyl-3-oxo-1-phenyloctan-2-yl]carbamoyl]-1-carboxy-6-methyl-3-oxooctan-2-yl]amino]-1-hydroxy-5-methyl-3,6-dioxohexan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-5-oxoundecanoic acid);(2S,5S)-5-[[(2R,5S)-5-[[(2S,3R)-2-[(2-amino-4-dodecoxybutanoyl)amino]-3-hydroxybutanoyl]amino]-2-benzyl-6-methyl-4-oxoheptanoyl]amino]-8-(diaminomethylideneamino)-N-[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]-2-(hydroxymethyl)-4-oxooctanamide;N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]hexadecanamide;(Z)-N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]octadec-9-enamide?

The canonical SMILES for bis((4S,7R)-4-acetamido-11-amino-7-[[(4S,7R)-7-[[(2S,5R)-6-[[(2S,5S,6S)-5-[[(2S,5S,6S)-5-carbamoyl-6-methyl-3-oxo-1-phenyloctan-2-yl]carbamoyl]-1-carboxy-6-methyl-3-oxooctan-2-yl]amino]-1-hydroxy-5-methyl-3,6-dioxohexan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-5-oxoundecanoic acid);(2S,5S)-5-[[(2R,5S)-5-[[(2S,3R)-2-[(2-amino-4-dodecoxybutanoyl)amino]-3-hydroxybutanoyl]amino]-2-benzyl-6-methyl-4-oxoheptanoyl]amino]-8-(diaminomethylideneamino)-N-[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]-2-(hydroxymethyl)-4-oxooctanamide;N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]hexadecanamide;(Z)-N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C[C@@H](CO)C(=O)N[C@@H](CO)C(=O)C[C@H](C)CCCN=C(N)N)C(C)C)[C@@H](C)O.CCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C[C@@H](CO)C(=O)N[C@@H](CO)C(=O)C[C@H](C)CCCN=C(N)N)C(C)C)[C@@H](C)O.CCCCCCCCCCCCOCCC(N)C(=O)N[C@H](C(=O)N[C@H](C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C[C@@H](CO)C(=O)N[C@@H](CO)C(=O)C[C@H](C)CCCN=C(N)N)C(C)C)[C@@H](C)O.CC[C@H](C)C(CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)CC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)CC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)CC(=O)[C@H](CCC(=O)O)NC(C)=O)[C@@H](C)CC)C(N)=O.CC[C@H](C)[C@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)CC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)CC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)CC(=O)[C@H](CCC(=O)O)NC(C)=O)[C@@H](C)CC)C(N)=O.

What is the InChIKey of bis((4S,7R)-4-acetamido-11-amino-7-[[(4S,7R)-7-[[(2S,5R)-6-[[(2S,5S,6S)-5-[[(2S,5S,6S)-5-carbamoyl-6-methyl-3-oxo-1-phenyloctan-2-yl]carbamoyl]-1-carboxy-6-methyl-3-oxooctan-2-yl]amino]-1-hydroxy-5-methyl-3,6-dioxohexan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-5-oxoundecanoic acid);(2S,5S)-5-[[(2R,5S)-5-[[(2S,3R)-2-[(2-amino-4-dodecoxybutanoyl)amino]-3-hydroxybutanoyl]amino]-2-benzyl-6-methyl-4-oxoheptanoyl]amino]-8-(diaminomethylideneamino)-N-[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]-2-(hydroxymethyl)-4-oxooctanamide;N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]hexadecanamide;(Z)-N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]octadec-9-enamide?

The InChIKey is YUXWZYGVAVGLRP-UQITUMBXSA-N. The full InChI is InChI=1S/2C61H99N13O16.C57H98N10O10.C55H97N11O11.C55H96N10O10/c2*1-7-34(3)41(55(63)86)30-51(80)45(27-38-16-10-9-11-17-38)73-59(90)42(35(4)8-2)31-52(81)46(32-54(84)85)72-56(87)36(5)26-48(77)47(33-75)74-58(89)40(19-14-24-68-60(64)65)29-49(78)43(20-15-25-69-61(66)67)71-57(88)39(18-12-13-23-62)28-50(79)44(70-37(6)76)21-22-53(82)83;1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30-50(74)66-52(41(5)70)55(77)67-51(39(2)3)49(73)35-43(34-42-27-21-20-22-28-42)53(75)64-45(29-25-32-63-57(60)61)48(72)36-44(37-68)54(76)65-46(38-69)47(71)33-40(4)26-24-31-62-56(58)59;1-6-7-8-9-10-11-12-13-14-18-28-77-29-25-42(56)52(75)66-49(38(5)69)53(76)65-48(36(2)3)47(72)32-40(31-39-22-16-15-17-23-39)50(73)63-43(24-20-27-62-55(59)60)46(71)33-41(34-67)51(74)64-44(35-68)45(70)30-37(4)21-19-26-61-54(57)58;1-6-7-8-9-10-11-12-13-14-15-16-17-21-28-48(72)64-50(39(5)68)53(75)65-49(37(2)3)47(71)33-41(32-40-25-19-18-20-26-40)51(73)62-43(27-23-30-61-55(58)59)46(70)34-42(35-66)52(74)63-44(36-67)45(69)31-38(4)24-22-29-60-54(56)57/h2*9-11,16-17,34-36,39-47,75H,7-8,12-15,18-33,62H2,1-6H3,(H2,63,86)(H,70,76)(H,71,88)(H,72,87)(H,73,90)(H,74,89)(H,82,83)(H,84,85)(H4,64,65,68)(H4,66,67,69);13-14,20-22,27-28,39-41,43-46,51-52,68-70H,6-12,15-19,23-26,29-38H2,1-5H3,(H,64,75)(H,65,76)(H,66,74)(H,67,77)(H4,58,59,62)(H4,60,61,63);15-17,22-23,36-38,40-44,48-49,67-69H,6-14,18-21,24-35,56H2,1-5H3,(H,63,73)(H,64,74)(H,65,76)(H,66,75)(H4,57,58,61)(H4,59,60,62);18-20,25-26,37-39,41-44,49-50,66-68H,6-17,21-24,27-36H2,1-5H3,(H,62,73)(H,63,74)(H,64,72)(H,65,75)(H4,56,57,60)(H4,58,59,61)/b;;14-13-;;/t34-,35-,36+,39+,40+,41?,42-,43-,44-,45-,46-,47-;34-,35-,36+,39+,40+,41-,42-,43-,44-,45-,46-,47-;40-,41-,43-,44+,45+,46+,51+,52+;37-,38-,40-,41+,42?,43+,44+,48+,49+;38-,39-,41-,42+,43+,44+,49+,50+/m00111/s1.

What are the key properties of bis((4S,7R)-4-acetamido-11-amino-7-[[(4S,7R)-7-[[(2S,5R)-6-[[(2S,5S,6S)-5-[[(2S,5S,6S)-5-carbamoyl-6-methyl-3-oxo-1-phenyloctan-2-yl]carbamoyl]-1-carboxy-6-methyl-3-oxooctan-2-yl]amino]-1-hydroxy-5-methyl-3,6-dioxohexan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-5-oxoundecanoic acid);(2S,5S)-5-[[(2R,5S)-5-[[(2S,3R)-2-[(2-amino-4-dodecoxybutanoyl)amino]-3-hydroxybutanoyl]amino]-2-benzyl-6-methyl-4-oxoheptanoyl]amino]-8-(diaminomethylideneamino)-N-[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]-2-(hydroxymethyl)-4-oxooctanamide;N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]hexadecanamide;(Z)-N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]octadec-9-enamide?

bis((4S,7R)-4-acetamido-11-amino-7-[[(4S,7R)-7-[[(2S,5R)-6-[[(2S,5S,6S)-5-[[(2S,5S,6S)-5-carbamoyl-6-methyl-3-oxo-1-phenyloctan-2-yl]carbamoyl]-1-carboxy-6-methyl-3-oxooctan-2-yl]amino]-1-hydroxy-5-methyl-3,6-dioxohexan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-5-oxoundecanoic acid);(2S,5S)-5-[[(2R,5S)-5-[[(2S,3R)-2-[(2-amino-4-dodecoxybutanoyl)amino]-3-hydroxybutanoyl]amino]-2-benzyl-6-methyl-4-oxoheptanoyl]amino]-8-(diaminomethylideneamino)-N-[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]-2-(hydroxymethyl)-4-oxooctanamide;N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]hexadecanamide;(Z)-N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]octadec-9-enamide has a molecular weight of 5770.43 g/mol, XLogP of 8.73, 232 rotatable bonds, 62 hydrogen bond donors, and 72 hydrogen bond acceptors.

Where does this data come from?

All data for bis((4S,7R)-4-acetamido-11-amino-7-[[(4S,7R)-7-[[(2S,5R)-6-[[(2S,5S,6S)-5-[[(2S,5S,6S)-5-carbamoyl-6-methyl-3-oxo-1-phenyloctan-2-yl]carbamoyl]-1-carboxy-6-methyl-3-oxooctan-2-yl]amino]-1-hydroxy-5-methyl-3,6-dioxohexan-2-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]carbamoyl]-5-oxoundecanoic acid);(2S,5S)-5-[[(2R,5S)-5-[[(2S,3R)-2-[(2-amino-4-dodecoxybutanoyl)amino]-3-hydroxybutanoyl]amino]-2-benzyl-6-methyl-4-oxoheptanoyl]amino]-8-(diaminomethylideneamino)-N-[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]-2-(hydroxymethyl)-4-oxooctanamide;N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]hexadecanamide;(Z)-N-[(2S,3R)-1-[[(3S,6R)-6-benzyl-7-[[(4S,7S)-1-(diaminomethylideneamino)-8-[[(2S,5R)-8-(diaminomethylideneamino)-1-hydroxy-5-methyl-3-oxooctan-2-yl]amino]-7-(hydroxymethyl)-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]octadec-9-enamide is sourced from PubChem (CID 162022520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).