(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-1-[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-(2-methylpropanoylamino)-3-phenyl-propanoyl]amino]pentanoyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]butanediamide

Systemtic Name: (2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-1-[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-(2-methylpropanoylamino)-3-phenyl-propanoyl]amino]pentanoyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]butanediamide Openeye Name: (2S)-2-[[(2S)-5-guanidino-2-[[(2S)-1-[(2S)-5-guanidino-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-(2-methylpropanoylamino)-3-phenyl-propanoyl]amino]pentanoyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanediamide CAS Name: (2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-methyl-1-oxopropyl)amino]-1-oxo-3-phenylpropyl]amino]-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopentyl]amino]butanediamide IUPAC Name: (2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-(2-methylpropanoylamino)-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanediamide Traditional Name: (2S)-2-[[(2S)-5-guanidino-2-[[(2S)-1-[(2S)-5-guanidino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(isobutyrylamino)-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]prolyl]amino]pentanoyl]amino]succinamide Formula: C49H75N15O9 MolecularWeight: 1018.2149

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)N)C(=O)N)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C(C)C

InChI

InChI=1S/C49H75N15O9/c1-28(2)24-35(62-45(71)36(61-41(67)29(3)4)25-30-14-7-5-8-15-30)43(69)63-37(26-31-16-9-6-10-17-31)44(70)59-33(19-12-22-57-49(54)55)47(73)64-23-13-20-38(64)46(72)58-32(18-11-21-56-48(52)53)42(68)60-34(40(51)66)27-39(50)65/h5-10,14-17,28-29,32-38H,11-13,18-27H2,1-4H3,(H2,50,65)(H2,51,66)(H,58,72)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,63,69)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-/m0/s1