(2S)-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-oxo-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-1,4-dioxobutyl]amino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-keto-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]propionic acid Formula: C48H69N11O11 MolecularWeight: 976.12856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NCC(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C48H69N11O11/c1-8-27(6)41(59-45(66)36(21-37(50)60)56-42(63)32(49)19-29-14-10-9-11-15-29)47(68)57-34(18-25(2)3)43(64)53-23-38(61)52-24-39(62)55-35(20-30-22-51-33-17-13-12-16-31(30)33)44(65)58-40(26(4)5)46(67)54-28(7)48(69)70/h9-17,22,25-28,32,34-36,40-41,51H,8,18-21,23-24,49H2,1-7H3,(H2,50,60)(H,52,61)(H,53,64)(H,54,67)(H,55,62)(H,56,63)(H,57,68)(H,58,65)(H,59,66)(H,69,70)/t27-,28-,32-,34-,35-,36-,40-,41-/m0/s1