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

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]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)-4-amino-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-4-oxo-butanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]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)-4-amino-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-5-hydroxy-1,5-dioxopentyl]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)-2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)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)-4-amino-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-4-keto-butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-hydroxy-4-keto-butanoyl]proline Formula: C40H60N12O14 MolecularWeight: 932.9764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)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)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)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)N

InChI

InChI=1S/C40H60N12O14/c1-20(2)32(42)37(63)50-25(17-28(41)53)36(62)48-23(12-13-30(55)56)33(59)46-19-29(54)47-22(10-6-14-45-40(43)44)34(60)49-24(16-21-8-4-3-5-9-21)35(61)51-26(18-31(57)58)38(64)52-15-7-11-27(52)39(65)66/h3-5,8-9,20,22-27,32H,6-7,10-19,42H2,1-2H3,(H2,41,53)(H,46,59)(H,47,54)(H,48,62)(H,49,60)(H,50,63)(H,51,61)(H,55,56)(H,57,58)(H,65,66)(H4,43,44,45)/t22-,23-,24-,25-,26-,27-,32-/m0/s1