(2R,5S)-N-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]-N-[2-[[2-[[2-[[2-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl-[2-[[2-[(2-amino-2-oxoethyl)-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4,5-trihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-4,5-dihydroxy-3-methyloxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-(heptanoylamino)-4-oxooctanamide

C128H227N41O39 — CID 90310093

About (2R,5S)-N-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]-N-[2-[[2-[[2-[[2-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl-[2-[[2-[(2-amino-2-oxoethyl)-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4,5-trihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-4,5-dihydroxy-3-methyloxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-(heptanoylamino)-4-oxooctanamide

(2R,5S)-N-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]-N-[2-[[2-[[2-[[2-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl-[2-[[2-[(2-amino-2-oxoethyl)-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4,5-trihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-4,5-dihydroxy-3-methyloxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-(heptanoylamino)-4-oxooctanamide (PubChem CID 90310093) has the molecular formula C128H227N41O39 and a molecular weight of 2964.47 g/mol. Its IUPAC name is (2R,5S)-N-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]-N-[2-[[2-[[2-[[2-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl-[2-[[2-[(2-amino-2-oxoethyl)-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4,5-trihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-4,5-dihydroxy-3-methyloxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-(heptanoylamino)-4-oxooctanamide.

Molecular Properties

• Compound Name: (2R,5S)-N-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]-N-[2-[[2-[[2-[[2-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl-[2-[[2-[(2-amino-2-oxoethyl)-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4,5-trihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-4,5-dihydroxy-3-methyloxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-(heptanoylamino)-4-oxooctanamide
• PubChem CID: 90310093
• Molecular Formula: C128H227N41O39
• Molecular Weight: 2964.47 g/mol
• Exact Mass: 2962.70
• IUPAC Name: (2R,5S)-N-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]-N-[2-[[2-[[2-[[2-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl-[2-[[2-[(2-amino-2-oxoethyl)-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4,5-trihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-4,5-dihydroxy-3-methyloxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-(heptanoylamino)-4-oxooctanamide
• SMILES: CCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)C[C@@H](CCCN=C(N)N)C(=O)N(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)nn1)CC(=O)N(CCC)CC(=O)N(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(O)C(O)C2C)nn1)CC(=O)N(CCC)CC(=O)N(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)nn1)CC(=O)N(CCC)CC(=O)N(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(O)C(O)C2O)nn1)CC(N)=O
• InChI: InChI=1S/C128H227N41O39/c1-6-10-11-12-29-92(176)150-81(28-18-35-145-128(142)143)82(170)47-68(23-17-34-144-127(140)141)122(200)165(42-22-46-169-59-72(154-158-169)27-15-32-90(174)148-54-85-107(189)110(192)100(139)124(203-85)206-119-78(134)49-74(130)103(185)113(119)195)66-98(182)161(38-9-4)63-97(181)164(41-21-45-167-57-69(152-156-167)24-13-30-88(172)146-52-83-67(5)101(183)116(198)125(201-83)207-120-79(135)50-75(131)104(186)114(120)196)65-94(178)160(37-8-3)62-96(180)163(40-20-44-168-58-71(153-157-168)25-14-31-89(173)147-53-84-106(188)109(191)99(138)123(202-84)205-118-77(133)48-73(129)102(184)112(118)194)64-93(177)159(36-7-2)61-95(179)162(60-87(137)171)39-19-43-166-56-70(151-155-166)26-16-33-91(175)149-55-86-108(190)111(193)117(199)126(204-86)208-121-80(136)51-76(132)105(187)115(121)197/h56-59,67-68,73-81,83-86,99-121,123-126,183-199H,6-55,60-66,129-136,138-139H2,1-5H3,(H2,137,171)(H,146,172)(H,147,173)(H,148,174)(H,149,175)(H,150,176)(H4,140,141,144)(H4,142,143,145)/t67?,68-,73?,74?,75?,76?,77?,78?,79?,80?,81+,83?,84?,85?,86?,99?,100?,101?,102?,103?,104?,105?,106?,107?,108?,109?,110?,111?,112?,113?,114?,115?,116?,117?,118?,119?,120?,121?,123?,124?,125?,126?/m1/s1
• InChIKey: NYQVSHGZEBQVKO-DDMSTZLRSA-N
• XLogP: -18.78
• TPSA: 1277.42 Ų
• H-Bond Donors: 37
• H-Bond Acceptors: 63
• Rotatable Bonds: 86
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2964.47
LogP ≤ 5	-18.78
H-Bond Donors ≤ 5	37
H-Bond Acceptors ≤ 10	63

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-N-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]-N-[2-[[2-[[2-[[2-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl-[2-[[2-[(2-amino-2-oxoethyl)-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4,5-trihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-4,5-dihydroxy-3-methyloxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-(heptanoylamino)-4-oxooctanamide?

The IUPAC name of (2R,5S)-N-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]-N-[2-[[2-[[2-[[2-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl-[2-[[2-[(2-amino-2-oxoethyl)-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4,5-trihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-4,5-dihydroxy-3-methyloxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-(heptanoylamino)-4-oxooctanamide (CID 90310093) is (2R,5S)-N-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]-N-[2-[[2-[[2-[[2-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl-[2-[[2-[(2-amino-2-oxoethyl)-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4,5-trihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-4,5-dihydroxy-3-methyloxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-(heptanoylamino)-4-oxooctanamide.

What is the SMILES notation for (2R,5S)-N-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]-N-[2-[[2-[[2-[[2-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl-[2-[[2-[(2-amino-2-oxoethyl)-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4,5-trihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-4,5-dihydroxy-3-methyloxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-(heptanoylamino)-4-oxooctanamide?

The canonical SMILES for (2R,5S)-N-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]-N-[2-[[2-[[2-[[2-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl-[2-[[2-[(2-amino-2-oxoethyl)-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4,5-trihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-4,5-dihydroxy-3-methyloxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-(heptanoylamino)-4-oxooctanamide is CCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)C[C@@H](CCCN=C(N)N)C(=O)N(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)nn1)CC(=O)N(CCC)CC(=O)N(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(O)C(O)C2C)nn1)CC(=O)N(CCC)CC(=O)N(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)nn1)CC(=O)N(CCC)CC(=O)N(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(O)C(O)C2O)nn1)CC(N)=O.

What is the InChIKey of (2R,5S)-N-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]-N-[2-[[2-[[2-[[2-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl-[2-[[2-[(2-amino-2-oxoethyl)-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4,5-trihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-4,5-dihydroxy-3-methyloxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-(heptanoylamino)-4-oxooctanamide?

The InChIKey is NYQVSHGZEBQVKO-DDMSTZLRSA-N. The full InChI is InChI=1S/C128H227N41O39/c1-6-10-11-12-29-92(176)150-81(28-18-35-145-128(142)143)82(170)47-68(23-17-34-144-127(140)141)122(200)165(42-22-46-169-59-72(154-158-169)27-15-32-90(174)148-54-85-107(189)110(192)100(139)124(203-85)206-119-78(134)49-74(130)103(185)113(119)195)66-98(182)161(38-9-4)63-97(181)164(41-21-45-167-57-69(152-156-167)24-13-30-88(172)146-52-83-67(5)101(183)116(198)125(201-83)207-120-79(135)50-75(131)104(186)114(120)196)65-94(178)160(37-8-3)62-96(180)163(40-20-44-168-58-71(153-157-168)25-14-31-89(173)147-53-84-106(188)109(191)99(138)123(202-84)205-118-77(133)48-73(129)102(184)112(118)194)64-93(177)159(36-7-2)61-95(179)162(60-87(137)171)39-19-43-166-56-70(151-155-166)26-16-33-91(175)149-55-86-108(190)111(193)117(199)126(204-86)208-121-80(136)51-76(132)105(187)115(121)197/h56-59,67-68,73-81,83-86,99-121,123-126,183-199H,6-55,60-66,129-136,138-139H2,1-5H3,(H2,137,171)(H,146,172)(H,147,173)(H,148,174)(H,149,175)(H,150,176)(H4,140,141,144)(H4,142,143,145)/t67?,68-,73?,74?,75?,76?,77?,78?,79?,80?,81+,83?,84?,85?,86?,99?,100?,101?,102?,103?,104?,105?,106?,107?,108?,109?,110?,111?,112?,113?,114?,115?,116?,117?,118?,119?,120?,121?,123?,124?,125?,126?/m1/s1.

What are the key properties of (2R,5S)-N-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]-N-[2-[[2-[[2-[[2-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl-[2-[[2-[(2-amino-2-oxoethyl)-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4,5-trihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-4,5-dihydroxy-3-methyloxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-(heptanoylamino)-4-oxooctanamide?

(2R,5S)-N-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]-N-[2-[[2-[[2-[[2-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl-[2-[[2-[(2-amino-2-oxoethyl)-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4,5-trihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-4,5-dihydroxy-3-methyloxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-(heptanoylamino)-4-oxooctanamide has a molecular weight of 2964.47 g/mol, XLogP of -18.78, 86 rotatable bonds, 37 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S)-N-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]-N-[2-[[2-[[2-[[2-[3-[4-[4-[[5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4-dihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl-[2-[[2-[(2-amino-2-oxoethyl)-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-3,4,5-trihydroxyoxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-[3-[4-[4-[[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-4,5-dihydroxy-3-methyloxan-2-yl]methylamino]-4-oxobutyl]triazol-1-yl]propyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-(heptanoylamino)-4-oxooctanamide is sourced from PubChem (CID 90310093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).