(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-1-[(2R)-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-1-[(2R)-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2R)-2-amino-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[[(2S)-1-[(2R)-2-amino-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopentyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2R)-2-amino-3-phenyl-propanoyl]prolyl]amino]-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]prolyl]amino]-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-valeric acid Formula: C60H94N12O11 MolecularWeight: 1159.46216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(C(C)C)C(=O)NC(CCCN)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCCN)NC(=O)C(C(C)C)NC(=O)C3CCCN3C(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C60H94N12O11/c1-35(2)31-44(66-51(73)42(23-15-27-61)64-56(78)49(37(5)6)69-54(76)47-25-17-29-71(47)58(80)41(63)33-39-19-11-9-12-20-39)53(75)67-45(34-40-21-13-10-14-22-40)59(81)72-30-18-26-48(72)55(77)70-50(38(7)8)57(79)65-43(24-16-28-62)52(74)68-46(60(82)83)32-36(3)4/h9-14,19-22,35-38,41-50H,15-18,23-34,61-63H2,1-8H3,(H,64,78)(H,65,79)(H,66,73)(H,67,75)(H,68,74)(H,69,76)(H,70,77)(H,82,83)/t41-,42+,43+,44+,45-,46+,47+,48+,49+,50+/m1/s1