(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]pentanediamide

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]pentanediamide Openeye Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]pentanediamide CAS Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-1,4-dioxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-2-piperidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]pentanediamide IUPAC Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]pentanediamide Traditional Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-keto-pentanoyl]amino]-4-keto-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pipecoloyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]glutaramide Formula: C48H77N13O14 MolecularWeight: 1060.20368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)N)C(=O)N)NC(=O)C1CCCCN1C(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(C(C)C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C48H77N13O14/c1-7-25(6)39(47(74)59-38(24(4)5)46(73)54-28(40(53)67)15-17-34(49)64)60-44(71)33-10-8-9-19-61(33)48(75)31(20-26-11-13-27(63)14-12-26)57-42(69)30(21-36(51)66)56-41(68)29(16-18-35(50)65)55-43(70)32(22-62)58-45(72)37(52)23(2)3/h11-14,23-25,28-33,37-39,62-63H,7-10,15-22,52H2,1-6H3,(H2,49,64)(H2,50,65)(H2,51,66)(H2,53,67)(H,54,73)(H,55,70)(H,56,68)(H,57,69)(H,58,72)(H,59,74)(H,60,71)/t25-,28-,29-,30-,31-,32-,33-,37-,38-,39-/m0/s1