2-[2-[2-[[(2S)-5-azanyl-2-[[(2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-azanylpropanoyl]amino]-3-naphthalen-2-yl-propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[2-[[(2S)-5-azanyl-2-[[(2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-azanylpropanoyl]amino]-3-naphthalen-2-yl-propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-(2-naphthyl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-1-oxopropyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-(2-naphthyl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-5-keto-pentanoyl]amino]acetyl]amino]acetyl]amino]acetic acid Formula: C56H71N13O12 MolecularWeight: 1118.24284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NC(C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NCC(=O)NCC(=O)O)N

Isomeric SMILES

C[C@H](C(=O)N[C@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)NCC(=O)NCC(=O)O)N

InChI

InChI=1S/C56H71N13O12/c1-32(58)50(75)67-44(26-35-19-20-36-14-6-7-15-37(36)24-35)54(79)64-33(2)51(76)68-45(27-38-28-60-40-17-9-8-16-39(38)40)56(81)69-43(25-34-12-4-3-5-13-34)55(80)65-41(18-10-11-23-57)53(78)66-42(21-22-46(59)70)52(77)63-30-48(72)61-29-47(71)62-31-49(73)74/h3-9,12-17,19-20,24,28,32-33,41-45,60H,10-11,18,21-23,25-27,29-31,57-58H2,1-2H3,(H2,59,70)(H,61,72)(H,62,71)(H,63,77)(H,64,79)(H,65,80)(H,66,78)(H,67,75)(H,68,76)(H,69,81)(H,73,74)/t32-,33+,41+,42+,43-,44-,45+/m1/s1