2-azanyl-N-[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]butanediamide

Systemtic Name: 2-azanyl-N-[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]butanediamide Openeye Name: 2-amino-N-[(1S)-3-amino-1-[[(1S)-2-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S)-2-[(2-amino-2-oxo-ethyl)amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-oxo-propyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]butanediamide CAS Name: 2-amino-N-[(2S)-4-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]butanediamide IUPAC Name: 2-amino-N-[(2S)-4-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]butanediamide Traditional Name: 2-amino-N-[(1S)-3-amino-1-[[(1S)-2-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S)-2-[(2-amino-2-keto-ethyl)amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]pyrrolidino]-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-1-benzyl-2-keto-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-keto-propyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-3-keto-propyl]succinamide Formula: C56H73N15O14 MolecularWeight: 1180.27092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)N3CCCC3C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)NCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)C(CC(=O)N)N

InChI

InChI=1S/C56H73N15O14/c1-28(2)47(70-53(82)40(25-45(60)75)65-48(77)29(3)64-51(80)39(24-44(59)74)66-49(78)35(57)23-43(58)73)55(84)68-37(20-30-10-5-4-6-11-30)52(81)69-41(21-31-15-17-33(72)18-16-31)56(85)71-19-9-14-42(71)54(83)67-38(50(79)63-27-46(61)76)22-32-26-62-36-13-8-7-12-34(32)36/h4-8,10-13,15-18,26,28-29,35,37-42,47,62,72H,9,14,19-25,27,57H2,1-3H3,(H2,58,73)(H2,59,74)(H2,60,75)(H2,61,76)(H,63,79)(H,64,80)(H,65,77)(H,66,78)(H,67,83)(H,68,84)(H,69,81)(H,70,82)/t29-,35?,37-,38-,39-,40-,41-,42-,47-/m0/s1