(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-[(2S)-2-[[(2S,3S)-3-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]butanediamide

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-[(2S)-2-[[(2S,3S)-3-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]butanediamide Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S,2S)-1-formyl-2-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]butanediamide CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-[(2S)-2-[[[(2S,3S)-3-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]butanediamide IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-[(2S)-2-[[(2S,3S)-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]butanediamide Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S,2S)-1-formyl-2-methyl-butyl]carbamoyl]pyrrolidino]-2-keto-1-methyl-ethyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]succinamide Formula: C51H77N11O12 MolecularWeight: 1036.22358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C=O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCCCN)N

Isomeric SMILES

CC[C@H](C)[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C51H77N11O12/c1-7-29(4)41(27-63)61-50(73)42-12-10-22-62(42)51(74)31(6)56-46(69)38(24-32-13-17-34(64)18-14-32)58-49(72)40(26-43(54)66)60-48(71)39(25-33-15-19-35(65)20-16-33)59-47(70)37(23-28(2)3)57-44(67)30(5)55-45(68)36(53)11-8-9-21-52/h13-20,27-31,36-42,64-65H,7-12,21-26,52-53H2,1-6H3,(H2,54,66)(H,55,68)(H,56,69)(H,57,67)(H,58,72)(H,59,70)(H,60,71)(H,61,73)/t29-,30-,31-,36-,37-,38-,39-,40-,41+,42-/m0/s1