(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-4-[[(2S)-4-[4-[[(2S)-6-amino-2-[[(2R)-2-benzyl-9-(2,5-dioxopyrrol-1-yl)-4-oxononanoyl]amino]hexanoyl]amino]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-1-hydroxy-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S)-N-[(2S)-5-(carbamoylamino)-1-[4-[(3S)-3-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-4-hydroxy-2-methylbutanoyl]amino]-2-oxo-4-phenylbutyl]anilino]-1-oxopentan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide

C144H215N17O25 — CID 158311092

About (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-4-[[(2S)-4-[4-[[(2S)-6-amino-2-[[(2R)-2-benzyl-9-(2,5-dioxopyrrol-1-yl)-4-oxononanoyl]amino]hexanoyl]amino]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-1-hydroxy-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S)-N-[(2S)-5-(carbamoylamino)-1-[4-[(3S)-3-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-4-hydroxy-2-methylbutanoyl]amino]-2-oxo-4-phenylbutyl]anilino]-1-oxopentan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide

(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-4-[[(2S)-4-[4-[[(2S)-6-amino-2-[[(2R)-2-benzyl-9-(2,5-dioxopyrrol-1-yl)-4-oxononanoyl]amino]hexanoyl]amino]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-1-hydroxy-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S)-N-[(2S)-5-(carbamoylamino)-1-[4-[(3S)-3-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-4-hydroxy-2-methylbutanoyl]amino]-2-oxo-4-phenylbutyl]anilino]-1-oxopentan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide (PubChem CID 158311092) has the molecular formula C144H215N17O25 and a molecular weight of 2584.40 g/mol. Its IUPAC name is (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-4-[[(2S)-4-[4-[[(2S)-6-amino-2-[[(2R)-2-benzyl-9-(2,5-dioxopyrrol-1-yl)-4-oxononanoyl]amino]hexanoyl]amino]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-1-hydroxy-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S)-N-[(2S)-5-(carbamoylamino)-1-[4-[(3S)-3-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-4-hydroxy-2-methylbutanoyl]amino]-2-oxo-4-phenylbutyl]anilino]-1-oxopentan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide.

Molecular Properties

• Compound Name: (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-4-[[(2S)-4-[4-[[(2S)-6-amino-2-[[(2R)-2-benzyl-9-(2,5-dioxopyrrol-1-yl)-4-oxononanoyl]amino]hexanoyl]amino]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-1-hydroxy-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S)-N-[(2S)-5-(carbamoylamino)-1-[4-[(3S)-3-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-4-hydroxy-2-methylbutanoyl]amino]-2-oxo-4-phenylbutyl]anilino]-1-oxopentan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide
• PubChem CID: 158311092
• Molecular Formula: C144H215N17O25
• Molecular Weight: 2584.40 g/mol
• Exact Mass: 2582.61
• IUPAC Name: (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-4-[[(2S)-4-[4-[[(2S)-6-amino-2-[[(2R)-2-benzyl-9-(2,5-dioxopyrrol-1-yl)-4-oxononanoyl]amino]hexanoyl]amino]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-1-hydroxy-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S)-N-[(2S)-5-(carbamoylamino)-1-[4-[(3S)-3-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-4-hydroxy-2-methylbutanoyl]amino]-2-oxo-4-phenylbutyl]anilino]-1-oxopentan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide
• SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](CO)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Cc1ccc(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(=O)CCCCCN2C(=O)C=CC2=O)Cc2ccccc2)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](CO)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Cc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)C(C)C
• InChI: InChI=1S/C74H108N8O12.C70H107N9O13/c1-12-50(6)70(80(10)74(93)58(48(2)3)45-64(86)69(49(4)5)79(8)9)65(94-11)46-68(89)81-40-24-31-62(81)59(47-83)51(7)71(90)78-61(42-53-27-18-14-19-28-53)63(85)43-54-32-34-56(35-33-54)76-73(92)60(30-21-22-38-75)77-72(91)55(41-52-25-16-13-17-26-52)44-57(84)29-20-15-23-39-82-66(87)36-37-67(82)88;1-14-46(8)65(77(12)69(90)53(44(4)5)40-59(83)64(45(6)7)76(10)11)60(92-13)41-63(86)78-36-22-27-57(78)54(42-80)47(9)66(87)75-56(37-48-23-17-15-18-24-48)58(82)38-49-28-30-50(31-29-49)73-68(89)55(26-21-34-72-70(71)91)74-67(88)52(43(2)3)39-51(81)25-19-16-20-35-79-61(84)32-33-62(79)85/h13-14,16-19,25-28,32-37,48-51,55,58-62,65,69-70,83H,12,15,20-24,29-31,38-47,75H2,1-11H3,(H,76,92)(H,77,91)(H,78,90);15,17-18,23-24,28-33,43-47,52-57,60,64-65,80H,14,16,19-22,25-27,34-42H2,1-13H3,(H,73,89)(H,74,88)(H,75,87)(H3,71,72,91)/t50-,51+,55+,58-,59+,60-,61-,62-,65+,69-,70-;46-,47+,52-,53-,54+,55-,56-,57-,60+,64-,65-/m00/s1
• InChIKey: GNRNGFLBVXZLCU-VNZSQDQQSA-N
• XLogP: 14.16
• TPSA: 579.56 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 83
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2584.40
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-4-[[(2S)-4-[4-[[(2S)-6-amino-2-[[(2R)-2-benzyl-9-(2,5-dioxopyrrol-1-yl)-4-oxononanoyl]amino]hexanoyl]amino]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-1-hydroxy-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S)-N-[(2S)-5-(carbamoylamino)-1-[4-[(3S)-3-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-4-hydroxy-2-methylbutanoyl]amino]-2-oxo-4-phenylbutyl]anilino]-1-oxopentan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide?

The IUPAC name of (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-4-[[(2S)-4-[4-[[(2S)-6-amino-2-[[(2R)-2-benzyl-9-(2,5-dioxopyrrol-1-yl)-4-oxononanoyl]amino]hexanoyl]amino]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-1-hydroxy-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S)-N-[(2S)-5-(carbamoylamino)-1-[4-[(3S)-3-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-4-hydroxy-2-methylbutanoyl]amino]-2-oxo-4-phenylbutyl]anilino]-1-oxopentan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide (CID 158311092) is (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-4-[[(2S)-4-[4-[[(2S)-6-amino-2-[[(2R)-2-benzyl-9-(2,5-dioxopyrrol-1-yl)-4-oxononanoyl]amino]hexanoyl]amino]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-1-hydroxy-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S)-N-[(2S)-5-(carbamoylamino)-1-[4-[(3S)-3-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-4-hydroxy-2-methylbutanoyl]amino]-2-oxo-4-phenylbutyl]anilino]-1-oxopentan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide.

What is the SMILES notation for (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-4-[[(2S)-4-[4-[[(2S)-6-amino-2-[[(2R)-2-benzyl-9-(2,5-dioxopyrrol-1-yl)-4-oxononanoyl]amino]hexanoyl]amino]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-1-hydroxy-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S)-N-[(2S)-5-(carbamoylamino)-1-[4-[(3S)-3-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-4-hydroxy-2-methylbutanoyl]amino]-2-oxo-4-phenylbutyl]anilino]-1-oxopentan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide?

The canonical SMILES for (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-4-[[(2S)-4-[4-[[(2S)-6-amino-2-[[(2R)-2-benzyl-9-(2,5-dioxopyrrol-1-yl)-4-oxononanoyl]amino]hexanoyl]amino]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-1-hydroxy-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S)-N-[(2S)-5-(carbamoylamino)-1-[4-[(3S)-3-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-4-hydroxy-2-methylbutanoyl]amino]-2-oxo-4-phenylbutyl]anilino]-1-oxopentan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide is CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](CO)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Cc1ccc(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(=O)CCCCCN2C(=O)C=CC2=O)Cc2ccccc2)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](CO)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Cc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)C(C)C.

What is the InChIKey of (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-4-[[(2S)-4-[4-[[(2S)-6-amino-2-[[(2R)-2-benzyl-9-(2,5-dioxopyrrol-1-yl)-4-oxononanoyl]amino]hexanoyl]amino]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-1-hydroxy-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S)-N-[(2S)-5-(carbamoylamino)-1-[4-[(3S)-3-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-4-hydroxy-2-methylbutanoyl]amino]-2-oxo-4-phenylbutyl]anilino]-1-oxopentan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide?

The InChIKey is GNRNGFLBVXZLCU-VNZSQDQQSA-N. The full InChI is InChI=1S/C74H108N8O12.C70H107N9O13/c1-12-50(6)70(80(10)74(93)58(48(2)3)45-64(86)69(49(4)5)79(8)9)65(94-11)46-68(89)81-40-24-31-62(81)59(47-83)51(7)71(90)78-61(42-53-27-18-14-19-28-53)63(85)43-54-32-34-56(35-33-54)76-73(92)60(30-21-22-38-75)77-72(91)55(41-52-25-16-13-17-26-52)44-57(84)29-20-15-23-39-82-66(87)36-37-67(82)88;1-14-46(8)65(77(12)69(90)53(44(4)5)40-59(83)64(45(6)7)76(10)11)60(92-13)41-63(86)78-36-22-27-57(78)54(42-80)47(9)66(87)75-56(37-48-23-17-15-18-24-48)58(82)38-49-28-30-50(31-29-49)73-68(89)55(26-21-34-72-70(71)91)74-67(88)52(43(2)3)39-51(81)25-19-16-20-35-79-61(84)32-33-62(79)85/h13-14,16-19,25-28,32-37,48-51,55,58-62,65,69-70,83H,12,15,20-24,29-31,38-47,75H2,1-11H3,(H,76,92)(H,77,91)(H,78,90);15,17-18,23-24,28-33,43-47,52-57,60,64-65,80H,14,16,19-22,25-27,34-42H2,1-13H3,(H,73,89)(H,74,88)(H,75,87)(H3,71,72,91)/t50-,51+,55+,58-,59+,60-,61-,62-,65+,69-,70-;46-,47+,52-,53-,54+,55-,56-,57-,60+,64-,65-/m00/s1.

What are the key properties of (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-4-[[(2S)-4-[4-[[(2S)-6-amino-2-[[(2R)-2-benzyl-9-(2,5-dioxopyrrol-1-yl)-4-oxononanoyl]amino]hexanoyl]amino]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-1-hydroxy-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S)-N-[(2S)-5-(carbamoylamino)-1-[4-[(3S)-3-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-4-hydroxy-2-methylbutanoyl]amino]-2-oxo-4-phenylbutyl]anilino]-1-oxopentan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide?

(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-4-[[(2S)-4-[4-[[(2S)-6-amino-2-[[(2R)-2-benzyl-9-(2,5-dioxopyrrol-1-yl)-4-oxononanoyl]amino]hexanoyl]amino]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-1-hydroxy-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S)-N-[(2S)-5-(carbamoylamino)-1-[4-[(3S)-3-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-4-hydroxy-2-methylbutanoyl]amino]-2-oxo-4-phenylbutyl]anilino]-1-oxopentan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide has a molecular weight of 2584.40 g/mol, XLogP of 14.16, 83 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-4-[[(2S)-4-[4-[[(2S)-6-amino-2-[[(2R)-2-benzyl-9-(2,5-dioxopyrrol-1-yl)-4-oxononanoyl]amino]hexanoyl]amino]phenyl]-3-oxo-1-phenylbutan-2-yl]amino]-1-hydroxy-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S)-N-[(2S)-5-(carbamoylamino)-1-[4-[(3S)-3-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-4-hydroxy-2-methylbutanoyl]amino]-2-oxo-4-phenylbutyl]anilino]-1-oxopentan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide is sourced from PubChem (CID 158311092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).