(2S)-2-[[(2S,3S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-azanylethanoylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-azanylethanoylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxopentyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(glycylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]glutaric acid Formula: C54H81N11O14 MolecularWeight: 1108.28624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(C)C)NC(=O)CN

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)CN

InChI

InChI=1S/C54H81N11O14/c1-10-30(5)44(64-48(72)34(9)57-47(71)33(8)58-49(73)40(26-36-20-16-13-17-21-36)63-50(74)38(24-29(3)4)60-41(66)27-55)52(76)59-32(7)46(70)56-28-42(67)61-39(25-35-18-14-12-15-19-35)51(75)65-45(31(6)11-2)53(77)62-37(54(78)79)22-23-43(68)69/h12-21,29-34,37-40,44-45H,10-11,22-28,55H2,1-9H3,(H,56,70)(H,57,71)(H,58,73)(H,59,76)(H,60,66)(H,61,67)(H,62,77)(H,63,74)(H,64,72)(H,65,75)(H,68,69)(H,78,79)/t30-,31-,32-,33-,34-,37-,38-,39-,40-,44-,45-/m0/s1