(2S)-2-[[(2S)-2-[2-[2-[[(2S,3R)-2-[[(2S)-4-azanyl-2-[[(2S)-3-(1H-indol-3-yl)-2-[2-[2-[[(2S)-pyrrolidin-2-yl]carbonylamino]ethanoylamino]ethanoylamino]propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[2-[2-[[(2S,3R)-2-[[(2S)-4-azanyl-2-[[(2S)-3-(1H-indol-3-yl)-2-[2-[2-[[(2S)-pyrrolidin-2-yl]carbonylamino]ethanoylamino]ethanoylamino]propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-3-(1H-indol-3-yl)-1-oxo-2-[[1-oxo-2-[[1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]ethyl]amino]ethyl]amino]propyl]amino]-1,4-dioxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[2-[[(2S)-prolyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]-4-keto-butanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-valeric acid Formula: C41H61N15O14 MolecularWeight: 988.01514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NCC(=O)NCC(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CNC(=O)CNC(=O)C3CCCN3)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CNC(=O)CNC(=O)[C@@H]3CCCN3)O

InChI

InChI=1S/C41H61N15O14/c1-20(58)34(39(68)51-16-31(61)49-18-33(63)53-28(19-57)38(67)54-25(40(69)70)9-5-11-46-41(43)44)56-37(66)27(13-29(42)59)55-36(65)26(12-21-14-47-23-7-3-2-6-22(21)23)52-32(62)17-48-30(60)15-50-35(64)24-8-4-10-45-24/h2-3,6-7,14,20,24-28,34,45,47,57-58H,4-5,8-13,15-19H2,1H3,(H2,42,59)(H,48,60)(H,49,61)(H,50,64)(H,51,68)(H,52,62)(H,53,63)(H,54,67)(H,55,65)(H,56,66)(H,69,70)(H4,43,44,46)/t20-,24+,25+,26+,27+,28+,34+/m1/s1