(4S)-4-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[[(2S)-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[[(2S)-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxo-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]-5-[[(1S)-1-benzyl-2-[[(1S)-1-carboxy-2-methyl-propyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-5-[[(2S)-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-keto-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]-5-[[(1S)-1-benzyl-2-[[(1S)-1-carboxy-2-methyl-propyl]amino]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C47H68N10O13 MolecularWeight: 981.10202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C)NC(=O)C(CCC(=O)N)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)N)N

InChI

InChI=1S/C47H68N10O13/c1-25(2)22-33(55-45(67)34(23-28-12-8-6-9-13-28)54-40(62)27(5)51-41(63)30(48)16-19-36(49)58)44(66)53-31(17-20-37(50)59)42(64)52-32(18-21-38(60)61)43(65)56-35(24-29-14-10-7-11-15-29)46(68)57-39(26(3)4)47(69)70/h6-15,25-27,30-35,39H,16-24,48H2,1-5H3,(H2,49,58)(H2,50,59)(H,51,63)(H,52,64)(H,53,66)(H,54,62)(H,55,67)(H,56,65)(H,57,68)(H,60,61)(H,69,70)/t27-,30-,31-,32-,33-,34-,35-,39-/m0/s1