(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoyl]amino]ethanoylamino]pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoyl]amino]ethanoylamino]pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-4-hydroxy-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]acetyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-4-hydroxy-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-hydroxy-4-keto-butanoyl]proline Formula: C37H56N12O13 MolecularWeight: 876.91314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(C)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)N2CCCC2C(=O)O)NC(=O)C(CC(=O)N)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CC(=O)N)N)O

InChI

InChI=1S/C37H56N12O13/c1-18(44-34(59)29(19(2)50)48-31(56)21(38)15-26(39)51)30(55)43-17-27(52)45-22(10-6-12-42-37(40)41)32(57)46-23(14-20-8-4-3-5-9-20)33(58)47-24(16-28(53)54)35(60)49-13-7-11-25(49)36(61)62/h3-5,8-9,18-19,21-25,29,50H,6-7,10-17,38H2,1-2H3,(H2,39,51)(H,43,55)(H,44,59)(H,45,52)(H,46,57)(H,47,58)(H,48,56)(H,53,54)(H,61,62)(H4,40,41,42)/t18-,19+,21-,22-,23-,24-,25-,29-/m0/s1