(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-amino-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-phenyl-propanoyl]prolyl]amino]-3-methyl-butanoyl]amino]-5-guanidino-pentanoyl]prolyl]amino]-5-keto-pentanoyl]amino]-3-methyl-butanoyl]prolyl]amino]-3-methyl-valeric acid Formula: C51H81N13O11 MolecularWeight: 1052.26934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(CCC(=O)N)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(C(C)C)NC(=O)C3CCCN3C(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C51H81N13O11/c1-7-30(6)41(50(74)75)61-45(69)37-20-14-26-64(37)49(73)40(29(4)5)60-42(66)33(21-22-38(53)65)57-43(67)35-18-13-25-63(35)48(72)34(17-11-23-56-51(54)55)58-46(70)39(28(2)3)59-44(68)36-19-12-24-62(36)47(71)32(52)27-31-15-9-8-10-16-31/h8-10,15-16,28-30,32-37,39-41H,7,11-14,17-27,52H2,1-6H3,(H2,53,65)(H,57,67)(H,58,70)(H,59,68)(H,60,66)(H,61,69)(H,74,75)(H4,54,55,56)/t30-,32-,33-,34-,35-,36-,37-,39-,40-,41-/m0/s1