(4S)-5-[[(2S)-5-azanyl-1-[[(2S)-6-azanyl-1-[[(2S)-1-(carboxymethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-[[(2S)-6-azanyl-2-[[(2S,3S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-[[(2S)-5-azanyl-1-[[(2S)-6-azanyl-1-[[(2S)-1-(carboxymethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-[[(2S)-6-azanyl-2-[[(2S,3S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S)-4-amino-1-[[(1S)-5-amino-1-[[(1S)-1-(carboxymethylcarbamoyl)-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]-4-oxo-butyl]amino]-4-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-1-(carboxymethylamino)-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-1-(carboxymethylamino)-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-4-amino-1-[[(1S)-5-amino-1-[[(1S)-1-(carboxymethylcarbamoyl)-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]-4-keto-butyl]amino]-4-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-5-keto-valeric acid Formula: C45H75N11O13 MolecularWeight: 978.1429

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NCC(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C45H75N11O13/c1-5-26(4)38(56-39(63)29(48)23-27-12-14-28(57)15-13-27)45(69)54-31(11-7-9-21-47)41(65)53-33(17-19-36(59)60)44(68)52-32(16-18-35(49)58)43(67)51-30(10-6-8-20-46)42(66)55-34(22-25(2)3)40(64)50-24-37(61)62/h12-15,25-26,29-34,38,57H,5-11,16-24,46-48H2,1-4H3,(H2,49,58)(H,50,64)(H,51,67)(H,52,68)(H,53,65)(H,54,69)(H,55,66)(H,56,63)(H,59,60)(H,61,62)/t26-,29-,30-,31-,32-,33-,34-,38-/m0/s1