(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-(methylamino)pentanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-(methylamino)pentanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-guanidino-2-(methylamino)pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-(methylamino)-1-oxopentyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-3,3-dimethyl-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-guanidino-2-(methylamino)pentanoyl]amino]hexanoyl]prolyl]amino]-3-phenyl-propanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-valeric acid Formula: C39H66N10O7 MolecularWeight: 787.00414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC

InChI

InChI=1S/C39H66N10O7/c1-24(2)22-29(37(55)56)47-35(53)31(39(3,4)5)48-33(51)28(23-25-14-8-7-9-15-25)46-34(52)30-18-13-21-49(30)36(54)27(16-10-11-19-40)45-32(50)26(43-6)17-12-20-44-38(41)42/h7-9,14-15,24,26-31,43H,10-13,16-23,40H2,1-6H3,(H,45,50)(H,46,52)(H,47,53)(H,48,51)(H,55,56)(H4,41,42,44)/t26-,27-,28-,29-,30-,31+/m0/s1