(2S)-2-[[(2S)-2-[[(2S,3R)-2-[2-[[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[2-[[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]prolyl]prolyl]prolyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butyric acid Formula: C41H70N12O12 MolecularWeight: 923.0677

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NCC(=O)NC(C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CO)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)N)O

InChI

InChI=1S/C41H70N12O12/c1-21(2)18-26(48-33(57)24(42)20-54)37(61)52-16-8-12-28(52)39(63)53-17-9-13-29(53)38(62)51-15-7-11-27(51)35(59)46-19-30(56)49-32(23(5)55)36(60)47-25(10-6-14-45-41(43)44)34(58)50-31(22(3)4)40(64)65/h21-29,31-32,54-55H,6-20,42H2,1-5H3,(H,46,59)(H,47,60)(H,48,57)(H,49,56)(H,50,58)(H,64,65)(H4,43,44,45)/t23-,24+,25+,26+,27+,28+,29+,31+,32+/m1/s1