(2S)-2-[[(2S)-2-[[(2R)-6-azanyl-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[2-(nonadecylamino)ethanoylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2R)-6-azanyl-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[2-(nonadecylamino)ethanoylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2R)-6-amino-2-[[(2S)-5-guanidino-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[2-(nonadecylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2R)-6-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[2-(nonadecylamino)-1-oxoethyl]amino]-1-oxopentyl]amino]-1-oxopentyl]amino]-1-oxopentyl]amino]-1-oxohexyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2R)-6-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[2-(nonadecylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2R)-6-amino-2-[[(2S)-5-guanidino-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[2-(nonadecylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-propionic acid Formula: C54H101N13O9 MolecularWeight: 1076.46144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCNCC(=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](CCCCN)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)O

InChI

InChI=1S/C54H101N13O9/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-29-58-35-47(69)62-43(31-38(2)3)50(72)65-44(32-39(4)5)51(73)64-42(27-25-30-60-54(56)57)48(70)63-41(26-22-23-28-55)49(71)66-45(33-40-34-59-37-61-40)52(74)67-46(36-68)53(75)76/h34,37-39,41-46,58,68H,6-33,35-36,55H2,1-5H3,(H,59,61)(H,62,69)(H,63,70)(H,64,73)(H,65,72)(H,66,71)(H,67,74)(H,75,76)(H4,56,57,60)/t41-,42+,43+,44+,45+,46+/m1/s1