(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[2-(tetradecylamino)ethanoylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[2-(tetradecylamino)ethanoylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-5-guanidino-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[2-(tetradecylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-1-oxo-2-[[1-oxo-2-(tetradecylamino)ethyl]amino]pentyl]amino]-1-oxopentyl]amino]-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[2-(tetradecylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-5-guanidino-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[2-(myristylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-propionic acid Formula: C49H90N12O9 MolecularWeight: 991.3139

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCNCC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CC1=CN=CN1)C(=O)NC(CO)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCNCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)O

InChI

InChI=1S/C49H90N12O9/c1-8-9-10-11-12-13-14-15-16-17-18-19-22-52-29-42(63)56-37(24-32(2)3)44(65)59-38(25-33(4)5)45(66)57-36(21-20-23-54-49(50)51)43(64)58-39(26-34(6)7)46(67)60-40(27-35-28-53-31-55-35)47(68)61-41(30-62)48(69)70/h28,31-34,36-41,52,62H,8-27,29-30H2,1-7H3,(H,53,55)(H,56,63)(H,57,66)(H,58,64)(H,59,65)(H,60,67)(H,61,68)(H,69,70)(H4,50,51,54)/t36-,37-,38-,39+,40-,41-/m0/s1