(4S)-4-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-5-[(2S)-2-[[(2S)-4-azanyl-1-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-5-[(2S)-2-[[(2S)-4-azanyl-1-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-pentanoyl]amino]propanoyl]amino]-5-[(2S)-2-[[(1S)-3-amino-1-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]-3-oxo-propyl]carbamoyl]pyrrolidin-1-yl]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-5-[(2S)-2-[[[(2S)-4-amino-1-[[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-5-[(2S)-2-[[(2S)-4-amino-1-[[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-keto-pentanoyl]amino]propanoyl]amino]-5-[(2S)-2-[[(1S)-3-amino-1-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]-3-keto-propyl]carbamoyl]pyrrolidino]-5-keto-valeric acid Formula: C38H56N10O15 MolecularWeight: 892.90924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H56N10O15/c1-17(39)31(55)45-24(15-20-6-8-21(50)9-7-20)34(58)43-22(10-12-27(40)51)33(57)42-18(2)32(56)44-23(11-13-29(53)54)37(61)48-14-4-5-26(48)36(60)46-25(16-28(41)52)35(59)47-30(19(3)49)38(62)63/h6-9,17-19,22-26,30,49-50H,4-5,10-16,39H2,1-3H3,(H2,40,51)(H2,41,52)(H,42,57)(H,43,58)(H,44,56)(H,45,55)(H,46,60)(H,47,59)(H,53,54)(H,62,63)/t17-,18-,19+,22-,23-,24-,25-,26-,30-/m0/s1